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- BIRD-PRD_900039: trehalose-6-phosphate -

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Basic information

EntryDatabase: Biologically Interesting Molecule Reference Dictionary (BIRD) / ID: PRD_900039
StatusStatus: REF ONLY
Nametrehalose-6-phosphate

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BIRD information

TypeOligosaccharide / Substrate analog
Details
  • oligosaccharide with reducing-end-to-reducing-end glycosidic bond
DownloadsMolecular definition / Chemical definition

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Chemical information

Composition
Formula: C12H23O14P / Formula weight: 422.276
OthersType: saccharide
History
External linksUniChem / ChemSpider / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

ACDLabs 12.01O=P(O)(O)OCC2OC(OC1OC(CO)C(O)C(O)C1O)C(O)C(O)C2O
CACTVS 3.385OC[CH]1O[CH](O[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH](O)[CH]2O)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.7.6C(C1C(C(C(C(O1)OC2C(C(C(C(O2)COP(=O)(O)O)O)O)O)O)O)O)O

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SMILES CANONICAL

CACTVS 3.385OC[C@H]1O[C@H](O[C@H]2O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 1.7.6C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)O)O)O)O)O

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InChI

InChI 1.03InChI=1S/C12H23O14P/c13-1-3-5(14)7(16)9(18)11(24-3)26-12-10(19)8(17)6(15)4(25-12)2-23-27(20,21)22/h3-19H,1-2H2,(H2,20,2 1,22)/t3-,4-,5-,6-,7+,8+,9-,10-,11-,12-/m1/s1

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InChIKey

InChI 1.03LABSPYBHMPDTEL-LIZSDCNHSA-N

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SYSTEMATIC NAME

ACDLabs 12.016-O-phosphono-alpha-D-glucopyranosyl alpha-D-glucopyranoside
OpenEye OEToolkits 1.7.6[(2R,3S,4S,5R,6R)-6-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4,5-tris(oxidanyl)oxan-2-yl ]methyl dihydrogen phosphate

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PDB entries

Showing all 4 items

PDB-4xxh:
TREHALOSE REPRESSOR FROM ESCHERICHIA COLI

PDB-5dx9:
Structure of trehalose-6-phosphate phosphatase from Cryptococcus neoformans

PDB-5k44:
Structure of Mycobacterium thermoresistibile trehalose-6-phosphate synthase in a complex with Trehalose-6-phosphate.

PDB-6jbr:
Tps1/UDP/T6P complex

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